%chk=000068460.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068460

0 1
 S   -1.623500       2.455100     -2.8300000E-02
 S   -3.634800       1.967800      0.2108000    
 O   0.7152000      -2.070700     -0.2921000    
 O    2.569700     -0.8563000      0.6494000    
 N   -1.538600      -1.382400     -2.7799999E-02
 N    1.298100      0.8135000     -0.3660000    
 C   -2.140000     -0.1592000      3.9700001E-02
 C   7.7100001E-02  0.2538000     -0.2215000    
 C   -1.116800      0.8281000     -8.3099999E-02
 C  -0.1559000      -1.223800     -0.1907000    
 C   -2.224400      -2.650200      5.6100000E-02
 C   -3.401600      0.2377000      0.1870000    
 C    2.485700      0.2281000      7.8400001E-02
 C    3.692600       1.097200     -0.2281000    
 C    4.997300      0.4614000      0.2162000    
 H    1.322500       1.800700     -0.6098000    
 H   -1.508900      -3.473100     -2.5599999E-02
 H   -2.949200      -2.722700     -0.7601000    
 H   -2.740300      -2.717800       1.018300    
 H   -4.244500     -0.4331000      0.2879000    
 H    3.562500       2.060800      0.2774000    
 H    3.722000       1.281700      -1.307900    
 H    5.156300     -0.4998000     -0.2836000    
 H    5.841300       1.115500     -2.3499999E-02
 H    4.999500      0.2821000       1.296400    


%chk=000068460-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000068460

0 1
S -1.318116 2.462494 0.718452
S -3.527483 1.954582 1.242165
O 0.410716 -2.180642 -1.166771
O 2.404187 -0.409991 1.158183
N -1.639138 -1.389595 -0.231961
N 1.398924 0.677098 -0.643398
C -2.110224 -0.162259 0.241470
C 0.105528 0.164990 -0.382218
C -1.001034 0.798431 0.142528
C -0.273056 -1.257260 -0.652937
C -2.393435 -2.637846 -0.318547
C -3.327091 0.231501 0.736181
C 2.519139 0.271945 0.105085
C 3.865440 0.716641 -0.477494
C 4.920240 0.958415 0.620741
H 1.553947 1.227797 -1.491413
H -1.721273 -3.394131 -0.756399
H -3.280459 -2.526900 -0.969434
H -2.713716 -2.981789 0.682126
H -4.208922 -0.398671 0.868249
H 3.739477 1.618215 -1.109033
H 4.208665 -0.095235 -1.149835
H 4.978827 0.078643 1.282879
H 5.914939 1.137854 0.175988
H 4.655216 1.830115 1.244892


